(3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol
TL;DR: (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol (CAS 138047-56-0) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-3-(4-benzyl-4-hydroxypiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
Also Known As: (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol, 2H-1-Benzopyran-4,7-diol, 3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-, cis-, 2H-1-Benzopyran-4,7-diol, 3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-, (3R,4S)-rel-, (3R,4R)-3-(4-benzyl-4-hydroxy-1-piperidyl)chroman-4,7-diol, (3R,4S)-3-(4-benzyl-4-hydroxypiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 2.2562 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 755.8613 |
Chemical Identifiers
| CAS Number | 138047-56-0 |
|---|---|
| SMILES | C1CN(CCC1(CC2=CC=CC=C2)O)[C@@H]3COC4=C([C@@H]3O)C=CC(=C4)O |
Product Overview
(3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol (CAS 138047-56-0), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: (3R,4S)-3-(4-benzyl-4-hydroxypiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol.
Chemical Property Profile of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol
Property Insights of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol
The XLogP value of 2.2562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol. Following Lipinski's Rule of Five, (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol?
The CAS number of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol is 138047-56-0.
What is the molecular formula of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol?
The molecular formula of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol is C21H25NO4.
What is the molecular weight of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol?
The molecular weight of (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol is 355.18 g/mol.
Where can I buy (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol?
You can request a quote for (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol?
Yes, KEHONG BIO provides custom synthesis services for (3R,4S)-Rel-3,4-dihydro-3-(4-hydroxy-4-(phenylmethyl)-1-piperidinyl)-2H-1-benzopyran-4,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.